Registration Dossier

General information

Inventory

EC number:
239-393-0
EC name:
1-[(5α,7α)-4,5-epoxy-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl]ethanone
CAS number:
15358-22-2

No inventory information available

Reference substance information

Synonyms
Names:
1-[(5alpha,7alpha)-4,5-epoxy-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl]ethanone
Identifier:
IUPAC name
1-(4,5α-epoxy-3,6-dimethoxy-17-methyl-6α,14-etheno-14α-morphinan-7α-yl)-1-oxoethane
Identifier:
IUPAC name
1-[(5α,7α)-4,5-epoxy-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl]ethanone
Identifier:
other: SMILES notation
CC(=O)[C@H]1C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)OC)O4)C)OC
Identifier:
other: SMILES notation
COc1ccc2CC(N3C)C45CC(C(=O)C)C(OC)(C=C5)C6Oc1c2C46CC3
1-(3,6-dimethoxy-17-methyl-4,5-epoxy-6,14-ethenomorphinan-7-yl)ethanone

CAS information

CAS number:
15358-22-2

Molecular and structural information

Molecular formula:
C23H27NO4
Molecular weight:
381.465
SMILES notation:
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@@]6(OC)C=C[C@@]35C[C@@H]6C(=O)C
InChl:
InChI=1/C23H27NO4/c1-13(25)15-12-21-7-8-23(15,27-4)20-22(21)9-10-24(2)17(21)11-14-5-6-16(26-3)19(28-20)18(14)22/h5-8,15,17,20H,9-12H2,1-4H3
Structural formula:
Chemical structure